SCHEMBL29394099

SCHEMBL29394099

Cc1nc(-c2ccc(N3CCN(CCCO)CC3)cc2)cc2c1cc(-c1ccc(S(C)(=O)=O)cc1)n2C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 8/20 0.39
▸ JAK3 P52333 8/20 0.39
▸ PTK2 Q05397 8/20 0.39
▸ MAP4K1 Q92918 1/20 0.38
▸ SYK P43405 3/20 0.37
▸ RAD52 P43351 1/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ PIM1 P11309 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26072099 1.00 JAK2 (0.39) JAK2JAK3PTK2MAP4K1SYK
SCHEMBL26072696 0.91 SYK (0.36) SYKHTR2AHTR2CSLC6A4PIM1
SCHEMBL29393810 0.91 SYK (0.36) SYKHTR2AHTR2CSLC6A4PIM1
SCHEMBL26072412 0.90 JAK2 (0.42) JAK2JAK3PTK2PTGS2
SCHEMBL29393641 0.90 JAK2 (0.42) JAK2JAK3PTK2PTGS2
SCHEMBL26072592 0.88 MAP4K1 (0.38) JAK2JAK3PTK2MAP4K1SYK
SCHEMBL29396253 0.88 MAP4K1 (0.38) JAK2JAK3PTK2MAP4K1SYK
SCHEMBL26072085 0.87 TLR9 (0.41) JAK2JAK3PTK2SYKDRD2
SCHEMBL29394205 0.87 TLR9 (0.41) JAK2JAK3PTK2SYKDRD2
SCHEMBL29393670 0.87 MAP4K1 (0.38) JAK2JAK3PTK2MAP4K1RAD52

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4200298-B1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2025-05-21 — — EP claimed
EP-4200298-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS Bristol-Myers Squibb Company (US) 2023-06-28 — — EP claimed
CN-115867549-A 1H-pyrrolo [3,2-c ] pyridine and 1H-pyrrolo [2,3-c ] pyridine derivatives as TLR9 inhibitors for the treatment of fibrosis 百时美施贵宝公司 2023-03-28 — — CN claimed
WO-2022040267-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-02-24 — — WO claimed
EP-4200298-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS Bristol-Myers Squibb Company (US) 2023-06-28 — — EP disclosed
CN-115867549-A 1H-pyrrolo [3,2-c ] pyridine and 1H-pyrrolo [2,3-c ] pyridine derivatives as TLR9 inhibitors for the treatment of fibrosis 百时美施贵宝公司 2023-03-28 — — CN disclosed
WO-2022040267-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-02-24 — — WO disclosed
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